cis-(1S,2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide

C25H25N3O — CID 98728827

IUPACcis-(1S,2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESO=C(NCc1ccc(CN2CCc3ccccc32)cc1)[C@H]1C[C@H]1c1cccnc1
InChIInChI=1S/C25H25N3O/c29-25(23-14-22(23)21-5-3-12-26-16-21)27-15-18-7-9-19(10-8-18)17-28-13-11-20-4-1-2-6-24(20)28/h1-10,12,16,22-23H,11,13-15,17H2,(H,27,29)/t22-,23-/m0/s1
InChIKeyFQVSEGUDJKZCPP-GOTSBHOMSA-N
MW383.50 g/mol
LogP4.06
Rot. Bonds6

About cis-(1S,2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide

cis-(1S,2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide (PubChem CID 98728827) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is cis-(1S,2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
PubChem CID98728827
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Namecis-(1S,2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESO=C(NCc1ccc(CN2CCc3ccccc32)cc1)[C@H]1C[C@H]1c1cccnc1
InChIInChI=1S/C25H25N3O/c29-25(23-14-22(23)21-5-3-12-26-16-21)27-15-18-7-9-19(10-8-18)17-28-13-11-20-4-1-2-6-24(20)28/h1-10,12,16,22-23H,11,13-15,17H2,(H,27,29)/t22-,23-/m0/s1
InChIKeyFQVSEGUDJKZCPP-GOTSBHOMSA-N
XLogP4.06
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide (CID 98728827) is cis-(1S,2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide is O=C(NCc1ccc(CN2CCc3ccccc32)cc1)[C@H]1C[C@H]1c1cccnc1.
What is the InChIKey of cis-(1S,2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The InChIKey is FQVSEGUDJKZCPP-GOTSBHOMSA-N. The full InChI is InChI=1S/C25H25N3O/c29-25(23-14-22(23)21-5-3-12-26-16-21)27-15-18-7-9-19(10-8-18)17-28-13-11-20-4-1-2-6-24(20)28/h1-10,12,16,22-23H,11,13-15,17H2,(H,27,29)/t22-,23-/m0/s1.
What are the key properties of cis-(1S,2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 98728827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).